7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol

C23H17NO4 — CID 135438509

IUPAC7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESCOc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1
InChIInChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
InChIKeySAQPECWWGZJCNM-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.88
Rot. Bonds2

About 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol

7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol (PubChem CID 135438509) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
PubChem CID135438509
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESCOc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1
InChIInChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
InChIKeySAQPECWWGZJCNM-UHFFFAOYSA-N
XLogP4.88
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The IUPAC name of 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol (CID 135438509) is 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol.
What is the SMILES notation for 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The canonical SMILES for 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol is COc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
The InChIKey is SAQPECWWGZJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3.
What are the key properties of 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol?
7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol has a molecular weight of 371.39 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,9-diol is sourced from PubChem (CID 135438509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).